%chk=000050863.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050863

0 1
 O  -0.2798000     -0.6437000      0.9386000    
 N    3.047900      -1.366400     -0.4976000    
 N    4.362400      -1.157000      1.3100000E-02
 C    2.096800     -0.7652000      0.4372000    
 C    2.339200      0.7517000      0.5676000    
 C    2.142400       1.552000     -0.7242000    
 C   0.6743000      -1.132100      4.0000002E-03
 C    2.337000       3.042300     -0.4846000    
 C   -1.525700     -0.3474000      0.4513000    
 C   -2.024200      -1.052500     -0.6383000    
 C   -2.278400      0.6558000       1.051200    
 C   -3.292100     -0.7503000      -1.134700    
 C   -3.546400      0.9580000      0.5547000    
 C   -4.053300      0.2548000     -0.5383000    
 H    2.241200      -1.196700       1.438800    
 H    3.339200      0.9549000      0.9715000    
 H    1.645100       1.143000       1.323800    
 H   0.4995000     -0.7383000      -1.005600    
 H   0.5769000      -2.225000     -3.5100002E-02
 H    2.850200       1.219800      -1.491400    
 H    1.133500       1.399900      -1.121000    
 H    2.875800      -2.368300     -0.5746000    
 H    3.346600       3.251700     -0.1168000    
 H    2.193200       3.597700      -1.416700    
 H    1.617600       3.419200      0.2495000    
 H    4.496200      -1.720900      0.8521000    
 H    5.038200      -1.503900     -0.6662000    
 H   -1.478300      -1.862100      -1.112700    
 H   -1.886700       1.206100       1.901900    
 H   -3.690200      -1.302100      -1.981300    
 H   -4.139200       1.740500       1.019200    
 H   -5.041300      0.4889000     -0.9238000    


%chk=000050863-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050863

0 1
O -0.376668 -0.152402 0.708251
N 2.971649 -1.380484 -0.269906
N 4.291078 -1.364960 0.252564
C 1.995363 -0.552419 0.497790
C 2.423696 0.931364 0.539143
C 2.503077 1.637846 -0.833093
C 0.625560 -0.774468 -0.167788
C 3.125879 3.046135 -0.718836
C -1.723259 -0.221550 0.316336
C -2.182846 -0.857166 -0.864681
C -2.643383 0.398712 1.198929
C -3.568528 -0.865014 -1.150855
C -4.019260 0.381801 0.898936
C -4.492546 -0.250586 -0.278003
H 1.904160 -0.903720 1.555380
H 3.421833 0.961664 1.016236
H 1.718674 1.470396 1.201201
H 0.598686 -0.317805 -1.175614
H 0.407651 -1.861748 -0.263818
H 3.100188 1.012164 -1.523612
H 1.491017 1.728098 -1.276180
H 2.607176 -2.334133 -0.437091
H 4.155867 2.989992 -0.318017
H 3.170917 3.551633 -1.701452
H 2.536475 3.687291 -0.035793
H 4.511942 -1.987942 1.037935
H 5.017393 -1.258380 -0.454287
H -1.484950 -1.337241 -1.556837
H -2.259276 0.881924 2.102747
H -3.921708 -1.356159 -2.064882
H -4.725210 0.863355 1.584942
H -5.563047 -0.261798 -0.508047


